SCHEMBL3149784

SCHEMBL3149784

Nc1cccnc1Oc1cccnc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.40
CASP6 P55212 1/20 0.40
S1PR4 O95977 1/20 0.39
ALDH1A1 P00352 5/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ADRA2B P18089 1/20 0.35
PTGS1 P23219 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
APAF1 O14727 1/20 0.35
TDP2 O95551 1/20 0.35
MAPT P10636 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3161168 0.84 LMNA (0.43) NSD2CASP6ALDH1A1RAB9ANPC1
SCHEMBL14354842 0.80 ALDH1A1 (0.41) CASP6ALDH1A1RAB9AHTTSMN1; SMN2
SCHEMBL1340918 0.79 ALDH1A1 (0.53) NSD2CASP6ALDH1A1RAB9ANPC1
SCHEMBL12681546 0.77 ALDH1A1 (0.41) ALDH1A1ADORA2AADORA1ADRA2BPTGS1
SCHEMBL9482190 0.77 ALDH1A1 (0.44) ALDH1A1ADORA2AADORA1ADRA2BPTGS1
SCHEMBL1340917 0.77 HTR1A (0.52) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL30454545 0.77
SCHEMBL162184 0.77
SCHEMBL30079615 0.76 KEAP1 (0.53) ALDH1A1MEN1KMT2AMAPTNOS3
SCHEMBL397428 0.76 KEAP1 (0.53) ALDH1A1MEN1KMT2AMAPTNOS3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
EP-1751113-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Bristol-Myers Squibb Pharma Company (US) 2007-02-14 EP disclosed
WO-2005113511-A9 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2006-02-02 WO disclosed
WO-2005113511-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 NSD2 4168/4885CASP6 4119/4885S1PR4 878/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.